| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:14 UTC |
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| Update Date | 2025-03-21 17:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018056 |
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| Frequency | 230.7 |
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| Structure | |
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| Chemical Formula | C5H7ClO4 |
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| Molecular Mass | 166.0033 |
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| SMILES | O=C1OC(CCl)C(O)C1O |
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| InChI Key | CBQUKTYYJALFIT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofuranalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundgamma butyrolactoneoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeorganooxygen compound1,2-diol |
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